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Substance Name: 3-Butenyl isothiocyanate
RN: 3386-97-8
UNII: 13O98H1EW1
InChIKey: SKIHGKNFJKJXPX-UHFFFAOYSA-N

Molecular Formula

  • C5-H7-N-S

Molecular Weight

  • 113.183
 
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Names and Synonyms

Name of Substance

  • 3-Butenyl isothiocyanate

Synonyms

  • 3-Butenyl isothiocyanate
  • EINECS 222-209-8
  • UNII-13O98H1EW1

Systematic Names

  • 1-Butene, 4-isothiocyanato-
  • 3-Butenyl isothiocyanate

Registry Numbers

CAS Registry Number

  • 3386-97-8

FDA UNII

  • 13O98H1EW1

System Generated Number

  • 0003386978

Structure Descriptors

InChI

1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2

InChIKey

SKIHGKNFJKJXPX-UHFFFAOYSA-N

Smiles

S=C=NCCC=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.640 (none)   EST
Water Solubility 460 mg/L 20 EXP
Atmospheric OH Rate Constant 2.86E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.